BDBM43928 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-[4-furan-2-ylmethyl-5-(4-hydroxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-ethanone::4-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(furan-2-ylmethyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one::4-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-4-(furan-2-ylmethyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one::4-[3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-4-(2-furfuryl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one::4-[3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-4-(2-furanylmethyl)-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone::MLS000027919::SMR000002551::cid_5770693

SMILES Oc1ccc(cc1)-c1nnc(SCC(=O)N2CCc3ccccc3C2)n1Cc1ccco1

InChI Key InChIKey=ACGDOENMVGVLMG-UHFFFAOYSA-N

Data  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 43928   

TargetSolute carrier family 12 member 5(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandPNGBDBM43928(1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-[4-furan-2-y...)
Affinity DataEC50:  5.73E+3nMAssay Description:Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/25/2011
Entry Details
PCBioAssay
TargetSolute carrier family 12 member 5(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandPNGBDBM43928(1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-[4-furan-2-y...)
Affinity DataEC50:  1.53E+4nMAssay Description:Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/25/2011
Entry Details
PCBioAssay
TargetSolute carrier family 12 member 5(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandPNGBDBM43928(1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-[4-furan-2-y...)
Affinity DataEC50:  5.59E+3nMAssay Description:Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2011
Entry Details
PCBioAssay